SCHEMBL1135342

SCHEMBL1135342

OB1OCCc2ccc(Oc3ccccc3)cc21

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.61
PDE4B Q07343 2/20 0.61
PDE4C Q08493 2/20 0.61
PDE4D Q08499 2/20 0.61
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
KLK1 P06870 1/20 0.53
KLK5 Q9Y337 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL595898 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL5583471 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DKLK1
SCHEMBL12317677 0.78 CA1 (0.51) CA12CA1CA2CA9
SCHEMBL23644467 0.76 ALOX15 (0.54) CA12CA1CA2CA9KLK1
SCHEMBL5583187 0.76 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL30571023 0.76 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL595809 0.76 PDE4B (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL5583340 0.75 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL595681 0.75 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL3472792 0.74 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285384-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD PDE4A 3243/4885PDE4B 1890/4885PDE4C 3275/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.